BioLiP

PDB

BioLiP

PDB CCD ID:

OZG

Number of entries in BioLiP:

Chemical formula:

C17 H14 O5

InChI:

InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19)

InChIKey:

UOSYUXUYPKFRGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3
CACTVS 3.385	COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1
OpenEye OEToolkits 2.0.7	COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O

Name:

[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).